SCHEMBL2865475

SCHEMBL2865475

CC(=O)OC[C@H]1O[C@@H](c2ccc(Cl)c(CBr)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.63
PTPN1 P18031 1/20 0.49
CA12 O43570 12/20 0.44
CA1 P00915 12/20 0.44
CA2 P00918 12/20 0.44
CA4 P22748 11/20 0.44
CA5A P35218 11/20 0.44
CA7 P43166 11/20 0.44
CA5B Q9Y2D0 11/20 0.44
CA9 Q16790 6/20 0.44
CA6 P23280 4/20 0.44
CA13 Q8N1Q1 4/20 0.44
CA14 Q9ULX7 4/20 0.44
CYP2D6 P10635 1/20 0.44
THRB P10828 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19415672 1.00 TSHR (0.63) TSHRPTPN1CA12CA1CA2
SCHEMBL14248547 1.00 TSHR (0.63) TSHRPTPN1CA12CA1CA2
SCHEMBL19415621 1.00 TSHR (0.63) TSHRPTPN1CA12CA1CA2
SCHEMBL12601659 0.90 TSHR (0.64) TSHRPTPN1CA12CA1CA2
SCHEMBL12334423 0.90 TSHR (0.64) TSHRPTPN1CA12CA1CA2
SCHEMBL15368881 0.90 TSHR (0.64) TSHRPTPN1CA12CA1CA2
SCHEMBL222652 0.90 TSHR (0.64) TSHRPTPN1CA12CA1CA2
SCHEMBL12649999 0.90 TSHR (0.64) TSHRPTPN1CA12CA1CA2
SCHEMBL2469148 0.90 TSHR (0.64) TSHRPTPN1CA12CA1CA2
SCHEMBL14081703 0.86 TSHR (0.58) TSHRPTPN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2676965-B1 ARYL GLYCOSIDE COMPOUND, PREPARATION METHOD AND USE THEREOF SHANGHAI YINGLI PHARM CO LTD (CN) 2017-10-04 EP disclosed
EP-2755722-B1 NOVEL SGLT INHIBITORS PANACEA BIOTEC LTD (IN) 2017-05-24 EP disclosed
US-9018249-B2 SGLT inhibitors PANACEA BIOTEC LIMITED (IN) 2015-04-28 US disclosed
US-8980829-B2 Aryl glycoside compound, preparation method and use thereof SHANGHAI YINGLI SCIENCE AND TECHNOLOGY CO., LTD (CN) 2015-03-17 US disclosed
US-20140378540-A1 NOVEL SGLT INHIBITORS PANACEA BIOTEC PHARMA LIMITED (IN) 2014-12-25 US disclosed
US-20140228303-A1 NOVEL SGLT INHIBITORS PANACEA BIOTEC LTD (IN) 2014-08-14 US disclosed
EP-2755722-A2 NOVEL SGLT INHIBITORS Panacea Biotec Ltd. (IN) 2014-07-23 EP disclosed
WO-2013038429-A2 NOVEL SGLT INHIBITORS PANACEA BIOTEC LTD. (IN) 2013-03-21 WO disclosed
US-7858587-B2 Glucopyranosyl-substituted difluorobenzyl-benzene derivates, medicaments containing such compounds, their use and process for their manufacture BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-28 US disclosed
US-7858587-B2 Glucopyranosyl-substituted difluorobenzyl-benzene derivates, medicaments containing such compounds, their use and process for their manufacture BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-28 US disclosed
US-20090318547-A1 GLUCOPYRANOSYL-SUBSTITUTED DIFLUOROBENZYL-BENZENE DERIVATES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR MANUFACTURE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-12-24 US disclosed
EP-2074130-A1 GLUCOPYRANOSYL-SUBSTITUTED DIFLUOROBENZYL-BENZENE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR MANUFACTURE Boehringer Ingelheim International GmbH (DE) 2009-07-01 EP disclosed
EP-1928852-A2 PROCESSES FOR PREPARING OF GLUCOPYRANOSYL-SUBSTITUTED (ETHYNYL-BENZYL)-BENZENE DERIVATIVES AND INTERMEDIATES THEREOF Boehringer Ingelheim International GmbH (DE) 2008-06-11 EP disclosed
WO-2008034859-A1 GLUCOPYRANOSYL-SUBSTITUTED DIFLUOROBENZYL-BENZENE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR MANUFACTURE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-03-27 WO disclosed
WO-2008034859-A1 GLUCOPYRANOSYL-SUBSTITUTED DIFLUOROBENZYL-BENZENE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR MANUFACTURE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-03-27 WO disclosed
US-20070073046-A1 Processes for preparing of glucopyranosyl-substituted (ethynyl-benzyl)-benzene derivatives and intermediates thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-03-29 US disclosed
US-20070073046-A1 Processes for preparing of glucopyranosyl-substituted (ethynyl-benzyl)-benzene derivatives and intermediates thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-03-29 US disclosed
US-20070073046-A1 Processes for preparing of glucopyranosyl-substituted (ethynyl-benzyl)-benzene derivatives and intermediates thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-03-29 US disclosed
WO-2007031548-A2 PROCESSES FOR PREPARING OF GLUCOPYRANOSYL-SUBSTITUTED (ETHYNYL-BENZYL)-BENZENE DERIVATIVES AND INTERMEDIATES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-03-22 WO disclosed
WO-2007031548-A2 PROCESSES FOR PREPARING OF GLUCOPYRANOSYL-SUBSTITUTED (ETHYNYL-BENZYL)-BENZENE DERIVATIVES AND INTERMEDIATES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-03-22 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140228303-A1 NOVEL SGLT INHIBITORS SLC5A1, SLC5A2, SLC2A1 TSHR 3621/4885PTPN1 304/4885CA12 1479/4885
US-20070073046-A1 Processes for preparing of glucopyranosyl-substituted (ethynyl-benzyl)-benzene derivatives and intermediates thereof UGGT1, B3GAT3, UGCG TSHR 2756/4885PTPN1 2535/4885CA12 2407/4885
US-20090318547-A1 GLUCOPYRANOSYL-SUBSTITUTED DIFLUOROBENZYL-BENZENE DERIVATES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR MANUFACTURE UGGT1, SLC5A2, SLC5A1 TSHR 2823/4885PTPN1 964/4885CA12 1576/4885
US-20140378540-A1 NOVEL SGLT INHIBITORS SLC5A1, SLC5A2, SLC2A1 TSHR 3621/4885PTPN1 304/4885CA12 1479/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.